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Compound Detail

CHEMBL5403660

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NCCNc1ccnc2cc(Oc3ccccc3)ccc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5403660
Phase Preclinical
Structure Type MOL
InChI Key ITEZQRAYJKUBCM-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

279.3
MW (Da)
3.40
ALogP
4
HBA
2
HBD
60.2
PSA (Ų)
0.75
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H17N3O
MW 279.34
Aromatic Rings 3
Heavy Atoms 21
NP-Likeness -0.90

Literature References

PubMed DOI Target Context # Activities
38039505 10.1021/acs.jmedchem.3c00877 Fermitin family homolog 2 2

Data from ChEMBL 36 via Core Engine